| Pubchem ID | 16590 |
|---|---|
| CAS | 2179-57-9 |
| IUPAC name | 3-(prop-2-enyldisulfanyl)prop-1-ene |
| Synonyms | Diallyldisulfide|Diallyl disulphide|1,2-Diallyldisulfane|Disulfide, di-2-propenyl|2-Propenyl disulphide|Allyl disulphide|4,5-Dithia-1,7-octadiene|3-Allyldisulfanyl-Propene|2-Propenyl disulfide|Di(2-propenyl) disulfide |
| Categories | Flavor enhancer |
| SMILES | C=CCSSCC=C |
| InCheykey | InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Danger |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 146.266 | 0 | 2 | 5 | 50.6 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Slightly Soluble | Weaker / Non binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |